ROLE OVERVIEW An exciting opportunity has arisen for a Computational Chemist to join our client's innovative team, supporting their cutting-edge drug discovery pipeline. Based in the UK, you will be instrumental in applying and developing computational techniques to advance the design and optimization of new therapeutics. This role offers the chance to work within a highly collaborative environment alongside multi-disciplinary teams dedicated to transforming scientific insights into tangible healthcare solutions. Our client is seeking candidates with a strong background in computational chemistry methods, including molecular dynamics, virtual screening, and machine learning applications. Whether you're at Senior Scientist, Associate Principal Scientist, or Principal Scientist level, this is a fantastic opportunity to make a real impact in the field of drug discovery. KEY DUTIES AND RESPONSIBILITIES Your duties as the Computational Chemist will be varied; however, the key responsibilities are as follows: Lead the development and execution of computational strategies across multiple drug discovery projects, from hit identification to lead optimization. Apply advanced molecular dynamics simulations (e.g., using AMBER, GROMACS, OpenMM) to investigate protein-ligand interactions and system behavior. Develop and utilize predictive QSAR models and machine learning techniques to improve molecular properties such as potency, sele...